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Cycloheptancarbonsure
NSC 18964 · CYCLOHEPTANOICACID · TIMTEC-BB SBB008467 · RARECHEM AL BO 1251 · Carboxycycloheptane · Cycloheptylcarboxylic acid · CYCLOHEPTAN CARBOXYLIC ACID · CYCLOHEPTANECARBOXYLIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 1460-16-8 |
|---|---|
| Summenformel | C8H14O2 |
| Durchschnittliche Molmasse | 142,2 g/mol |
| Monoisotopische Masse | 142,09937969 g/mol |
| SMILES | O=C(O)C1CCCCCC1 |
| InChIKey | VZFUCHSFHOYXIS-UHFFFAOYSA-N |
| PubChem CID | 15091 |
| ChEBI | CHEBI:29564 |
| EC No. | 215-954-5 |
| DTXSID | DTXSID10163256 |
| Lokaler Name | Cycloheptancarbonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 112 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 97.5-98.0 °C |
| Siedepunkt | 135-138 °C9 mm Hg(lit.) |
| Dichte | 1.035 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.4704(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 4.82±0.20(Predicted) |
| Farbe | Clear colorless |
| InChI | 1S/C8H14O2/c9-8(10)7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10) |
| InChIKey | VZFUCHSFHOYXIS-UHFFFAOYSA-N |
| SMILES | OC(=O)C1CCCCCC1 |
| CAS Datenbank | 1460-16-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29162090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Cycloheptanoic acid is an organic carboxylic acid used in organic synthesis and pharmaceutical intermediates.